3-[1-(3-bromophenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[1-(3-bromophenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
3-[1-(3-bromophenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K241-0384 |
| Compound Name: | 3-[1-(3-bromophenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 429.29 |
| Molecular Formula: | C19 H13 Br N2 O3 S |
| Smiles: | COc1cccc2C=C(C3=CN(C(N3)=S)c3cccc(c3)[Br])C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.9595 |
| logD: | 3.6644 |
| logSw: | -4.2488 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.635 |
| InChI Key: | LPBVHMXWFFAWAW-UHFFFAOYSA-N |